MEPENZOLATE BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: APX8D32IX1

Structure
InChI Key JRRNZNSGDSFFIR-UHFFFAOYSA-M
Smile C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]
InChI
InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26BrNO3
Molecular Weight 420.35
AlogP 2.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist ISBN PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 1-2 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 64900 - - 60

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 6753
ChEMBL CHEMBL1724
EPA CompTox DTXSID4023252
FDA SRS APX8D32IX1
PubChem 6461
SureChEMBL SCHEMBL99030
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